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· · COA & SDS available for every product · Same-day shipping on in-stock items 2-Butyl-1,1-dioxo-1,2-benzothiazol-3-one , CAS No.7499-96-9
Synonyms
Butylbenisothiazolene | 2-butyl-1,1-dioxo-1,2-benzothiazol-3-one | 2-Butyl-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione | n-Butylsaccharin | NSC400074 | CBMicro_023647 | Oprea1_518612 | DTXSID90321953 | BDBM50242148 | CCG-10757 | STL286883 | AKOS0015697
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Why this grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
Butylbenisothiazolene | 2-butyl-1, 1-dioxo-1, 2-benzothiazol-3-one | 2-Butyl-1H-1lambda~6~, 2-benzothiazole-1, 1, 3(2H)-trione | n-Butylsaccharin | NSC400074 | CBMicro_023647 | Oprea1_518612 | DTXSID90321953 | BDBM50242148 | CCG-10757 | STL286883 | AKOS0015697
Product Properties Names and Identifiers Canonical Smiles CCCCN1C(=O)C2=CC=CC=C2S1(=O)=O IUPAC Name 2-butyl-1,1-dioxo-1,2-benzothiazol-3-one InChIKey OVHVVWXDKDMZQA-UHFFFAOYSA-N INCHI 1S/C11H13NO3S/c1-2-3-8-12-11(13)9-6-4-5-7-10(9)16(12,14)15/h4-7H,2-3,8H2,1H3 Isomeric SMILES CCCCN1C(=O)C2=CC=CC=C2S1(=O)=O PubChem CID 343662 Molecular Weight 239.29
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Benzothiazoles Subclass Not available Intermediate Tree Nodes Not available Direct Parent Benzothiazoles Alternative Parents Benzenoids Organosulfonic acids and derivatives Carboxylic acids and derivatives Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents 1,2-benzothiazole - Benzenoid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom). External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 239.290 g/mol XLogP3 1.800 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 3 Exact Mass 239.062 Da Monoisotopic Mass 239.062 Da Topological Polar Surface Area 62.800 Ų Heavy Atom Count 16 Formal Charge 0 Complexity 371.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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